N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C12H27IN4 — CID 110920495

IUPACN'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(C)CC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C12H26N4.HI/c1-4-15(3)10-7-14-12(13)16-8-5-11(2)6-9-16;/h11H,4-10H2,1-3H3,(H2,13,14);1H
InChIKeyAKLUNFWFUCMJSR-UHFFFAOYSA-N
MW354.28 g/mol
LogP1.60
Rot. Bonds4

About N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110920495) has the molecular formula C12H27IN4 and a molecular weight of 354.28 g/mol. Its IUPAC name is N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110920495
Molecular FormulaC12H27IN4
Molecular Weight354.28 g/mol
Exact Mass354.13
IUPAC NameN'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(C)CC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C12H26N4.HI/c1-4-15(3)10-7-14-12(13)16-8-5-11(2)6-9-16;/h11H,4-10H2,1-3H3,(H2,13,14);1H
InChIKeyAKLUNFWFUCMJSR-UHFFFAOYSA-N
XLogP1.60
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[ethyl(methyl)amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111085730
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110935389
N'-[3-[ethylsulfonyl(methyl)amino]propyl]-4-methylpiperidine-1-carboximidamide
CID 110920035
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377

Frequently Asked Questions

What is the IUPAC name of N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110920495) is N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CCN(C)CC/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is AKLUNFWFUCMJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.HI/c1-4-15(3)10-7-14-12(13)16-8-5-11(2)6-9-16;/h11H,4-10H2,1-3H3,(H2,13,14);1H.
What are the key properties of N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 354.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).